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[2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-2-propylsulfanyl-propyl] ethanoate

[2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-2-propylsulfanyl-propyl] ethanoate

Systemtic Name:[2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-2-propylsulfanyl-propyl] ethanoate
Openeye Name:[2-cyano-3-(4-nitrophenyl)-3-oxo-2-propylsulfanyl-propyl] acetate
CAS Name:acetic acid [2-cyano-3-(4-nitrophenyl)-3-oxo-2-(propylthio)propyl] ester
IUPAC Name:[2-cyano-3-(4-nitrophenyl)-3-oxo-2-propylsulfanylpropyl] acetate
Traditional Name:acetic acid [2-cyano-3-keto-3-(4-nitrophenyl)-2-(propylthio)propyl] ester
Formula: C15H16N2O5S
MolecularWeight: 336.36294
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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(COC(=O)C)(C#N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]


Isomeric SMILES

CCCSC(COC(=O)C)(C#N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]


InChI

InChI=1S/C15H16N2O5S/c1-3-8-23-15(9-16,10-22-11(2)18)14(19)12-4-6-13(7-5-12)17(20)21/h4-7H,3,8,10H2,1-2H3


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